Geometry & MOs

Info

ID:

377362

PubChem CID:

134223411

Reduced:

ON4H42C65 (1)

Stoich.:

AB4C42D65 (1)

Weight, g/mol:

818.268176

ΔHf, kcal/mol:

258.77

Dipole, Da:

3.41

IP(EA), eV:

 -7.95(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-(2,6-diphenylpyrimidin-4-yl)-2-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C4C(=C3)C5=C(N4C6=CC=CC=C6)C=CC(=C5)C7=CC8=C(C=C7)N(C9=C8C=C1C2=CC=CC=C2OC1=C9)C1=CC=C(C=C1)C1=NC2=CC=CC=C2C(=N1)C1=CC=CC=C1)C

DOS

IR

Vibrations